dotriacontan-16-yl dihydrogen phosphate

C32H67O4P — CID 87532136

IUPACdotriacontan-16-yl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)OP(=O)(O)O
InChIInChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32(36-37(33,34)35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H2,33,34,35)
InChIKeyGSLLRPXAKKLKNR-UHFFFAOYSA-N
MW546.86 g/mol
LogP11.82
Rot. Bonds31

About dotriacontan-16-yl dihydrogen phosphate

dotriacontan-16-yl dihydrogen phosphate (PubChem CID 87532136) has the molecular formula C32H67O4P and a molecular weight of 546.86 g/mol. Its IUPAC name is dotriacontan-16-yl dihydrogen phosphate.

Molecular Properties

Compound Namedotriacontan-16-yl dihydrogen phosphate
PubChem CID87532136
Molecular FormulaC32H67O4P
Molecular Weight546.86 g/mol
Exact Mass546.48
IUPAC Namedotriacontan-16-yl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)OP(=O)(O)O
InChIInChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32(36-37(33,34)35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H2,33,34,35)
InChIKeyGSLLRPXAKKLKNR-UHFFFAOYSA-N
XLogP11.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.86
LogP ≤ 511.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

pentadecan-6-yl dihydrogen phosphate
CID 22719349
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
henicosan-4-yl dihydrogen phosphate
CID 175269897
1-hydroxyoctadecan-3-yl dihydrogen phosphate
CID 139888263
azane;decan-5-yl dihydrogen phosphate
CID 88685768
2-methyldodecan-5-yl dihydrogen phosphate
CID 23120845
2-phosphonooxydecylazanium
CID 102322927
copper;octan-3-yl dihydrogen phosphate
CID 174493101
trimethyl(2-phosphonooxyoctyl)azanium
CID 87551003
triheptatriacontan-19-yl phosphate
CID 87670645
heptan-4-yl dihydrogen phosphate
CID 18763997
dodecan-4-yl phosphono hydrogen phosphate
CID 88765863

Frequently Asked Questions

What is the IUPAC name of dotriacontan-16-yl dihydrogen phosphate?
The IUPAC name of dotriacontan-16-yl dihydrogen phosphate (CID 87532136) is dotriacontan-16-yl dihydrogen phosphate.
What is the SMILES notation for dotriacontan-16-yl dihydrogen phosphate?
The canonical SMILES for dotriacontan-16-yl dihydrogen phosphate is CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)OP(=O)(O)O.
What is the InChIKey of dotriacontan-16-yl dihydrogen phosphate?
The InChIKey is GSLLRPXAKKLKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32(36-37(33,34)35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H2,33,34,35).
What are the key properties of dotriacontan-16-yl dihydrogen phosphate?
dotriacontan-16-yl dihydrogen phosphate has a molecular weight of 546.86 g/mol, XLogP of 11.82, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dotriacontan-16-yl dihydrogen phosphate is sourced from PubChem (CID 87532136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).